Glycoside
...
GD072575

Name:
None

Formula:
C14H29O9N2S

Smiles:
C[NH+]1CCC(CC(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1

Aglycone:
COS(O)(O)O.C[NH+]1CCC(CC(N)=O)CC1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 8 FractionCSP3: 0.93
AlogP: -2.62 Num_rotatable_bonds: 6
MolWt: 401.46 Num_heavy_atoms: 26
TPSA: 173.38 NumAromaticRings: 0

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD26546
Formula: C8H17ON2

Smiles:
C[NH+]1CCC(CC(N)=O)CC1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.88
AlogP: -1.21 Num_rotatable_bonds: 2
MolWt: 157.24 Num_heavy_atoms: 11
TPSA: 47.53 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O